| SpectraBase Compound ID | 2Gwr0zQZ8uV |
|---|---|
| InChI | InChI=1S/C39H60O15/c1-16-15-49-39(12-23(16)42)17(2)28-24(54-39)10-22-20-6-5-18-9-19(7-8-37(18,3)21(20)11-27(43)38(22,28)4)50-35-33(48)31(46)34(26(14-41)52-35)53-36-32(47)30(45)29(44)25(13-40)51-36/h5,16-17,19-26,28-36,40-42,44-48H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26-,28+,29+,30-,31-,32+,33-,34+,35-,36-,37+,38-,39-/m1/s1 |
| InChIKey | SMEZATBOVGHWIY-WWUWLSHUSA-N |
| Mol Weight | 768.9 g/mol |
| Molecular Formula | C39H60O15 |
| Exact Mass | 768.393221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ChvwRDxStke |
|---|---|
| Name | KINGIANOSIDE-H;(24S,25R)-3-BETA,24-DIHYDROXY-SPIROSTAN-5-EN-12-ONE-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H60O15 |
| InChI | InChI=1S/C39H60O15/c1-16-15-49-39(12-23(16)42)17(2)28-24(54-39)10-22-20-6-5-18-9-19(7-8-37(18,3)21(20)11-27(43)38(22,28)4)50-35-33(48)31(46)34(26(14-41)52-35)53-36-32(47)30(45)29(44)25(13-40)51-36/h5,16-17,19-26,28-36,40-42,44-48H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26-,28+,29+,30-,31-,32+,33-,34+,35-,36-,37+,38-,39-/m1/s1 |
| InChIKey | SMEZATBOVGHWIY-WWUWLSHUSA-N |
| Literature Reference Author | H.S.YU,B.P.MA,L.P.KANG,T.ZHANG,F.J.JIANG,J.ZHANG,P.ZOU,Y.ZHA O,C.Q.XIONG,D.W.TAN, |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,1011(2009) |
| Literature Reference DOI | 10.1248/cpb.57.1011 |
| Molecular Weight | 768.896 g/mol |
| Sample ID | 2917 |
| Solvent | C5D5N |